- InChI
- InChI=1S/C10H20O2/c1-8(2)6-10(12)7-9(3)4-5-11/h6,9-12H,4-5,7H2,1-3H3
- InChI Key
- JMXVHRVVQNPWNN-UHFFFAOYSA-N
- Formula
- C10H20O2
- SMILES
- CC(C)=CC(O)CC(C)CCO
- Molecular Weight1
- 172.26
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -173.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -457.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.47 | kJ/mol | Joback Calculated Property |
| log10WS | -2.26 | Crippen Calculated Property | |
| logPoct/wat | 1.722 | Crippen Calculated Property | |
| McVol | 159.200 | ml/mol | McGowan Calculated Property |
| Pc | 2709.85 | kPa | Joback Calculated Property |
| Inp | [1347.00; 1347.00] |
|
|
| Inp | 1347.00 | NIST | |
| Inp | 1347.00 | NIST | |
| I | 2143.00 | NIST | |
| Tboil | 615.72 | K | Joback Calculated Property |
| Tc | 784.20 | K | Joback Calculated Property |
| Tfus | 275.06 | K | Joback Calculated Property |
| Vc | 0.603 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [421.50; 483.85] | J/mol×K | [615.72; 784.20] |
|
| Cp,gas | 421.50 | J/mol×K | 615.72 | Joback Calculated Property |
| Cp,gas | 433.13 | J/mol×K | 643.80 | Joback Calculated Property |
| Cp,gas | 444.24 | J/mol×K | 671.88 | Joback Calculated Property |
| Cp,gas | 454.84 | J/mol×K | 699.96 | Joback Calculated Property |
| Cp,gas | 464.96 | J/mol×K | 728.04 | Joback Calculated Property |
| Cp,gas | 474.62 | J/mol×K | 756.12 | Joback Calculated Property |
| Cp,gas | 483.85 | J/mol×K | 784.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Oxycitronellol.
Sources
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